Methyl 2-(3',4',9-trihydroxy-6'-methyl-5,10-dioxospiro[3,4-dihydrobenzo[g]isochromene-1,2'-oxane]-3-yl)acetate
| Internal ID | 20d409dc-5bd8-4071-b8fd-333340429de9 |
| Taxonomy | Phenylpropanoids and polyketides > Isochromanequinones > Benzoisochromanequinones |
| IUPAC Name | methyl 2-(3',4',9-trihydroxy-6'-methyl-5,10-dioxospiro[3,4-dihydrobenzo[g]isochromene-1,2'-oxane]-3-yl)acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H22O9/c1-9-6-14(23)20(27)21(29-9)17-12(7-10(30-21)8-15(24)28-2)18(25)11-4-3-5-13(22)16(11)19(17)26/h3-5,9-10,14,20,22-23,27H,6-8H2,1-2H3 |
| InChI Key | FCQDOFMWLSTZJE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H22O9 |
| Molecular Weight | 418.40 g/mol |
| Exact Mass | 418.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of Methyl 2-(3',4',9-trihydroxy-6'-methyl-5,10-dioxospiro[3,4-dihydrobenzo[g]isochromene-1,2'-oxane]-3-yl)acetate](https://plantaedb.com/storage/docs/compounds/2023/11/46d52b10-854b-11ee-9d72-c18a91818a56.jpg "2D Structure of Methyl 2-(3',4',9-trihydroxy-6'-methyl-5,10-dioxospiro[3,4-dihydrobenzo[g]isochromene-1,2'-oxane]-3-yl)acetate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.71% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.46% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.46% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.84% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.84% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.64% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.20% | 97.79% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.95% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.75% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.87% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.77% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.28% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.98% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.55% | 96.38% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.28% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.87% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.50% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 81.20% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.51% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.38% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.15% | 93.03% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.04% | 98.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 76416195 |
| LOTUS | LTS0226164 |
| wikiData | Q103818886 |